Structure Database (LMSD)

Common Name
Solenolide D
Systematic Name
Synonyms
LM ID
LMPR0104230005
Formula
C26H33O11Cl
Exact Mass
Calculate m/z
556.171143
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Briarane diterpenoids [PR010423]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unclassified Briareum (#2626813)
Anthozoa (#6101)
Solenolides, new antiinflammatory and antiviral diterpenoids from a marine octocoral of the genus Solenopodium,
J Org Chem, 1988

String Representations

InChiKey (Click to copy)
STGGFCRLBMHSID-GRZCTODESA-N
InChi (Click to copy)
InChI=1S/C26H33ClO11/c1-8-14-20(34-12(5)29)26(32)10(3)24(31)38-21(26)15(27)9(2)17-18(36-17)22(35-13(6)30)25(14,7)23-19(37-23)16(8)33-11(4)28/h8,10,14-23,32H,2H2,1,3-7H3/t8-,10+,14-,15+,16+,17-,18-,19+,20+,21+,22+,23+,25+,26-/m1/s1
SMILES (Click to copy)
[C@@H]12O[C@@H]1[C@@]1(C)[C@@]([H])([C@H](OC(=O)C)[C@]3(O)[C@@H](C)C(=O)O[C@H]3[C@@H](Cl)C(=C)[C@H]3O[C@H]3[C@@H]1OC(=O)C)[C@@H](C)[C@@H]2OC(=O)C

Other Databases

PubChem CID
162958354

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 5
Aromatic Rings
Rotatable Bonds 6
Van der Waals Molecular Volume 495.26
Topological Polar Surface Area 152.56
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 11
logP 3.92
Molar Refractivity 132.64

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Created at
11th Dec 2023
Updated at
11th Dec 2023